6-aminocarbonyl-1-[2-[(phenylmethyl)amino]ethyl]-2-sulfanylidene-pyrimidine-5-carboxylic acid

Systemtic Name: 6-aminocarbonyl-1-[2-[(phenylmethyl)amino]ethyl]-2-sulfanylidene-pyrimidine-5-carboxylic acid Openeye Name: 1-[2-(benzylamino)ethyl]-6-carbamoyl-2-thioxo-pyrimidine-5-carboxylic acid CAS Name: 6-carbamoyl-1-[2-[(phenylmethyl)amino]ethyl]-2-sulfanylidene-5-pyrimidinecarboxylic acid IUPAC Name: 1-[2-(benzylamino)ethyl]-6-carbamoyl-2-sulfanylidenepyrimidine-5-carboxylic acid Traditional Name: 1-[2-(benzylamino)ethyl]-6-carbamoyl-2-thioxo-pyrimidine-5-carboxylic acid Formula: C15H16N4O3S MolecularWeight: 332.37754

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCCN2C(=C(C=NC2=S)C(=O)O)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CNCCN2C(=C(C=NC2=S)C(=O)O)C(=O)N

InChI

InChI=1S/C15H16N4O3S/c16-13(20)12-11(14(21)22)9-18-15(23)19(12)7-6-17-8-10-4-2-1-3-5-10/h1-5,9,17H,6-8H2,(H2,16,20)(H,21,22)